methyl 5-(bromomethyl)-1H-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 5-(bromomethyl)-1H-1,2,4-triazole-3-carboxylate Openeye Name: methyl 5-(bromomethyl)-1H-1,2,4-triazole-3-carboxylate CAS Name: 5-(bromomethyl)-1H-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(bromomethyl)-1H-1,2,4-triazole-3-carboxylate Traditional Name: 5-(bromomethyl)-1H-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C5H6BrN3O2 MolecularWeight: 220.02404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NNC(=N1)CBr

Isomeric SMILES

COC(=O)C1=NNC(=N1)CBr

InChI

InChI=1S/C5H6BrN3O2/c1-11-5(10)4-7-3(2-6)8-9-4/h2H2,1H3,(H,7,8,9)